@<TRIPOS>MOLECULE
DB02824
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.4011    -2.7434    -0.5474	P	1	noname	0.0155
2	O1    -3.2389    -2.9568    -1.6990	O.2	1	noname	-0.1965
3	O2    -1.6280    -1.4219    -0.7128	O.3	1	noname	-0.1511
4	O3    -1.4031    -3.9089    -0.4156	O.3	1	noname	-0.1644
5	O4    -3.2762    -2.6714     0.7177	O.3	1	noname	-0.1644
6	C1    -0.8018    -1.2115     0.4228	C.3	1	noname	0.0894
7	C2    -0.0689     0.0414     0.2660	C.2	1	noname	-0.0044
8	C3     1.3671     0.0606     0.2517	C.2	1	noname	0.0076
9	C4    -0.7625     1.2896     0.1217	C.2	1	noname	-0.0060
10	C5     2.1089     1.2797     0.0988	C.2	1	noname	0.0324
11	C6     2.0939    -1.1973     0.3968	C.3	1	noname	0.0241
12	N1    -0.0238     2.4540    -0.0245	N.2	1	noname	-0.2528
13	O5     3.4588     1.2793     0.0876	O.3	1	noname	-0.2763
14	C7     1.3670     2.4969    -0.0413	C.2	1	noname	0.0275
15	N2     2.9242    -1.4197    -0.7857	N.3	1	noname	-0.3037
16	C8     2.0633     3.7703    -0.2003	C.3	1	noname	0.0427
17	C9     3.6520    -2.6794    -0.6403	C.3	1	noname	0.0826
18	C10     4.4812    -2.9014    -1.8213	C.2	1	noname	0.1421
19	O6     5.1903    -3.9276    -1.9031	O.2	1	noname	-0.2507
20	O7     4.4821    -1.9986    -2.8249	O.3	1	noname	-0.2149
21	H1    -1.2461    -4.0923     0.5135	H	1	noname	0.2283
22	H2    -3.4821    -3.5605     1.0155	H	1	noname	0.2283
23	H3    -1.4743    -1.0886     1.2717	H	1	noname	0.0629
24	H4    -0.0682    -2.0177     0.4209	H	1	noname	0.0629
25	H5    -1.8507     1.3532     0.1231	H	1	noname	0.0843
26	H6     2.7733    -1.0722     1.2399	H	1	noname	0.0480
27	H7     1.3475    -1.9915     0.4116	H	1	noname	0.0480
28	H8     3.7864     1.2792     0.9900	H	1	noname	0.2182
29	H9     2.9856    -0.7991    -1.5802	H	1	noname	0.1230
30	H10     2.2902     4.1854     0.7817	H	1	noname	0.0296
31	H11     2.9906     3.6111    -0.7506	H	1	noname	0.0296
32	H12     1.4288     4.4651    -0.7506	H	1	noname	0.0296
33	H13     4.3321    -2.5549     0.2023	H	1	noname	0.0536
34	H14     2.9062    -3.4742    -0.6260	H	1	noname	0.0536
35	H15     4.4829    -2.4574    -3.6682	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	12	14	1
16	14	16	1
17	15	17	1
18	17	18	1
19	18	19	2
20	18	20	1
21	4	21	1
22	5	22	1
23	6	23	1
24	6	24	1
25	9	25	1
26	11	26	1
27	11	27	1
28	13	28	1
29	15	29	1
30	16	30	1
31	16	31	1
32	16	32	1
33	17	33	1
34	17	34	1
35	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1